| Properties | Image |
|---|
| MNX_ID | MNXM1189908 |
 |
| reference | envipathM:...6f573f5baf02 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | ICAGUWOBFOBTGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-21-29-41(55)30-22-15-11-10-12-18-27-38-51(60)64-42(39-62-49(58)36-25-19-13-16-23-33-45-46(65-45)35-28-31-44(57)43(56)6-3)40-63-50(59)37-26-20-14-17-24-34-48-54(67-48)52(61)53-47(66-53)32-8-5-2/h21,28-29,31,41-48,52-57,61H,4-20,22-27,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-21-29-41(55)30-22-15-11-10-12-18-27-38-51(60)64-42(39-62-49(58)36-25-19-13-16-23-33-45-46(65-45)35-28-31-44(57)43(56)6-3)40-63-50(59)37-26-20-14-17-24-34-48-54(67-48)52(61)53-47(66-53)32-8-5-2/h21,28-29,31,41-48,52-57,61H,4-20,22-27,30,32-40H2,1-3H3/b29-21?,31-28?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:21]=[CH:29][CH:41]([CH2:30][CH2:22][CH2:15][CH2:11][CH2:10][CH2:12][CH2:18][CH2:27][CH2:38][C:51](=[O:60])[O:64][CH:42]([CH2:39][O:62][C:49]([CH2:36][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:33][CH:45]1[CH:46]([CH2:35][CH:28]=[CH:31][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])[O:65]1)=[O:58])[CH2:40][O:63][C:50]([CH2:37][CH2:26][CH2:20][CH2:14][CH2:17][CH2:24][CH2:34][CH:48]1[CH:54]([CH:52]([CH:53]2[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:61])[O:67]1)=[O:59])[OH:55] |
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